(3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid

C8H11NO2 — CID 59567112

IUPAC(3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid
SMILESN[C@H](CC(=O)O)C1=CC=CC1
InChIInChI=1S/C8H11NO2/c9-7(5-8(10)11)6-3-1-2-4-6/h1-3,7H,4-5,9H2,(H,10,11)/t7-/m1/s1
InChIKeyYLTLCPIZESGBQQ-SSDOTTSWSA-N
MW153.18 g/mol
LogP0.67
Rot. Bonds3

About (3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid

(3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid (PubChem CID 59567112) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid
PubChem CID59567112
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid
SMILESN[C@H](CC(=O)O)C1=CC=CC1
InChIInChI=1S/C8H11NO2/c9-7(5-8(10)11)6-3-1-2-4-6/h1-3,7H,4-5,9H2,(H,10,11)/t7-/m1/s1
InChIKeyYLTLCPIZESGBQQ-SSDOTTSWSA-N
XLogP0.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(2H-pyran-3-yl)propanoic acid;hydrochloride
CID 159997836
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CID 55296014
3-amino-3-(2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid
CID 83530111
3-amino-3-(3-methyltriazol-4-yl)propanoic acid
CID 131049940
(3R)-3-amino-3-(4-methyl-1H-pyrrol-3-yl)propanoic acid
CID 130676194
(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
CID 83089212
3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid
CID 84782589
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 55293673
(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine
CID 12637323
(3S)-3-amino-3-(2-amino-3-methylphenyl)propanoic acid
CID 131076446
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid?
The IUPAC name of (3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid (CID 59567112) is (3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid.
What is the SMILES notation for (3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid?
The canonical SMILES for (3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid is N[C@H](CC(=O)O)C1=CC=CC1.
What is the InChIKey of (3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid?
The InChIKey is YLTLCPIZESGBQQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11NO2/c9-7(5-8(10)11)6-3-1-2-4-6/h1-3,7H,4-5,9H2,(H,10,11)/t7-/m1/s1.
What are the key properties of (3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid?
(3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid has a molecular weight of 153.18 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid is sourced from PubChem (CID 59567112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).